The influence of amino acid side chains on water binding to the copper(II) in bis(N,N-dimethyl-L-α-isoleucinato)-copper(II):: An EPR and molecular mechanics study

被引:0
|
作者
Sabolovic, J
Noethig-Laslo, V
机构
[1] Inst Med Res & Occupat Hlth, Zagreb 10001, Croatia
[2] Rudjer Boskovic Inst, Zagreb 10001, Croatia
关键词
WP-WIN simfonia program; force field; amino acidates;
D O I
暂无
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
Simulations were done of the electron paramagnetic resonance (EPR) spectra for bis(NN-dimethyl-L-alpha-isoleucinato)copper(II) dissolved in deuterated methanol as a function of temperature. They indicated different behaviour of the complex below and above 300degreesK. The effect was examined by the conformational analysis of the copper(II) complex with a new molecular mechanics force field.
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页码:151 / 153
页数:3
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